4-[(3-anilino-3-oxopropyl)-propylamino]-N-hydroxybutanamide

C16H25N3O3 — CID 155124242

IUPAC4-[(3-anilino-3-oxopropyl)-propylamino]-N-hydroxybutanamide
SMILESCCCN(CCCC(=O)NO)CCC(=O)Nc1ccccc1
InChIInChI=1S/C16H25N3O3/c1-2-11-19(12-6-9-16(21)18-22)13-10-15(20)17-14-7-4-3-5-8-14/h3-5,7-8,22H,2,6,9-13H2,1H3,(H,17,20)(H,18,21)
InChIKeyKCBYWHUDZBBIES-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.01
Rot. Bonds10

About 4-[(3-anilino-3-oxopropyl)-propylamino]-N-hydroxybutanamide

4-[(3-anilino-3-oxopropyl)-propylamino]-N-hydroxybutanamide (PubChem CID 155124242) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-[(3-anilino-3-oxopropyl)-propylamino]-N-hydroxybutanamide.

Molecular Properties

Compound Name4-[(3-anilino-3-oxopropyl)-propylamino]-N-hydroxybutanamide
PubChem CID155124242
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name4-[(3-anilino-3-oxopropyl)-propylamino]-N-hydroxybutanamide
SMILESCCCN(CCCC(=O)NO)CCC(=O)Nc1ccccc1
InChIInChI=1S/C16H25N3O3/c1-2-11-19(12-6-9-16(21)18-22)13-10-15(20)17-14-7-4-3-5-8-14/h3-5,7-8,22H,2,6,9-13H2,1H3,(H,17,20)(H,18,21)
InChIKeyKCBYWHUDZBBIES-UHFFFAOYSA-N
XLogP2.01
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(dipropylamino)-N-phenylpropanamide
CID 52579960
3-[2-hydroxyethyl(propyl)amino]-N-phenylpropanamide
CID 62016603
3-[(3-anilino-3-oxopropyl)-ethylamino]-N-phenylpropanamide
CID 171553811
N-(4-chlorophenyl)-3-(dipropylamino)propanamide
CID 109033132
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
N'-hydroxy-N-phenyloctanediamide;piperazine
CID 24824516
N-(4-aminophenyl)-3-(dibutylamino)propanamide
CID 28982366
3-[octyl-[3-oxo-3-[2-(trifluoromethyl)anilino]propyl]amino]-N-phenylpropanamide
CID 155547152
3-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-octylamino]-N-phenylpropanamide
CID 78320406
N-[3-(phenylcarbamoylamino)phenyl]pentanamide
CID 51326660
3-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid
CID 60987692

Frequently Asked Questions

What is the IUPAC name of 4-[(3-anilino-3-oxopropyl)-propylamino]-N-hydroxybutanamide?
The IUPAC name of 4-[(3-anilino-3-oxopropyl)-propylamino]-N-hydroxybutanamide (CID 155124242) is 4-[(3-anilino-3-oxopropyl)-propylamino]-N-hydroxybutanamide.
What is the SMILES notation for 4-[(3-anilino-3-oxopropyl)-propylamino]-N-hydroxybutanamide?
The canonical SMILES for 4-[(3-anilino-3-oxopropyl)-propylamino]-N-hydroxybutanamide is CCCN(CCCC(=O)NO)CCC(=O)Nc1ccccc1.
What is the InChIKey of 4-[(3-anilino-3-oxopropyl)-propylamino]-N-hydroxybutanamide?
The InChIKey is KCBYWHUDZBBIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-2-11-19(12-6-9-16(21)18-22)13-10-15(20)17-14-7-4-3-5-8-14/h3-5,7-8,22H,2,6,9-13H2,1H3,(H,17,20)(H,18,21).
What are the key properties of 4-[(3-anilino-3-oxopropyl)-propylamino]-N-hydroxybutanamide?
4-[(3-anilino-3-oxopropyl)-propylamino]-N-hydroxybutanamide has a molecular weight of 307.39 g/mol, XLogP of 2.01, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-anilino-3-oxopropyl)-propylamino]-N-hydroxybutanamide is sourced from PubChem (CID 155124242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).